bryanherger / xdrawchem
XDrawChem is a two-dimensional molecule drawing program.
☆39Updated 4 years ago
Alternatives and similar repositories for xdrawchem:
Users that are interested in xdrawchem are comparing it to the libraries listed below
- IUPAC SMILES+ Specification☆38Updated last year
- Chemical 2D structure editor application/applet based on the Chemistry Development Kit☆119Updated this week
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated 3 months ago
- Wikipedia chemical structure explorer☆56Updated this week
- A cross-platform application for visualization of molecular databases.☆33Updated 2 years ago
- Sire Molecular Simulations Framework☆94Updated last year
- Main InChI repository☆77Updated this week
- Source code for HOLE program.☆33Updated 6 months ago
- A script for importing molecular geometries into Blender☆35Updated 2 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 6 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆78Updated 6 months ago
- mmCIF Core Access Library☆42Updated last week
- An open set of tools for automating tasks relating to small molecules☆64Updated 3 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆58Updated last year
- GAMESS wrapper for Python☆44Updated last year
- Draw molecules with plotly!☆43Updated 6 months ago
- APBS - software for biomolecular electrostatics and solvation☆128Updated 4 years ago
- Tinker: Software Tools for Molecular Design☆138Updated this week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆131Updated last month
- Interactive data analysis and visualisation with chemical intelligence☆107Updated last week
- Simple library for reading trajectory coordinates☆17Updated 8 years ago
- Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. Th…☆19Updated 4 years ago
- Program for revealing non-covalent interactions☆33Updated 2 years ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆42Updated 4 months ago
- Ideas for chemical similarity searches in MongoDB.☆26Updated 10 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆59Updated 3 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆44Updated 6 months ago
- JupyterLab extension for py3Dmol☆19Updated 3 years ago
- Tinker9: Next Generation of Tinker with GPU Support☆50Updated last year